SCHEMBL9314488

SCHEMBL9314488

CCOc1ccc([N+](=O)[O-])c(/C=C/[N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
MAPT P10636 7/20 0.55
HPGD P15428 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 6/20 0.50
ALOX12 P18054 1/20 0.50
NTSR1 P30989 1/20 0.50
CCR6 P51684 1/20 0.50
MCL1 Q07820 1/20 0.50
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
MAPK1 P28482 4/20 0.42
HSP90AA1 P07900 2/20 0.42
PKM P14618 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9314491 1.00 LMNA (0.55) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL9315348 0.89 MAPT (0.56) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL9315352 0.89 MAPT (0.56) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL9315374 0.88 ALDH1A1 (0.44) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL3900738 0.87 MAPT (0.59) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL3900730 0.87 MAPT (0.59) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL9314428 0.83 CTSV (0.41) LMNAMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL3904800 0.80 NPC1 (0.50) LMNAMAPTHPGDNPSR1NPC1
SCHEMBL4883017 0.77 HTR1A (0.55) LMNAMAPTHPGDNPC1RAB9A
SCHEMBL15952288 0.76 LMNA (0.67) LMNAMAPTHPGDNPSR1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US disclosed